4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide

C21H24ClN3O2 — CID 36670953

IUPAC4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H24ClN3O2/c1-23(2)17-9-6-15(7-10-17)14-24(3)21(27)18-11-8-16(22)13-19(18)25-12-4-5-20(25)26/h6-11,13H,4-5,12,14H2,1-3H3
InChIKeyAYACNVSLALXQFB-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 36670953) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID36670953
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H24ClN3O2/c1-23(2)17-9-6-15(7-10-17)14-24(3)21(27)18-11-8-16(22)13-19(18)25-12-4-5-20(25)26/h6-11,13H,4-5,12,14H2,1-3H3
InChIKeyAYACNVSLALXQFB-UHFFFAOYSA-N
XLogP3.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide (CID 36670953) is 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide is CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AYACNVSLALXQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-23(2)17-9-6-15(7-10-17)14-24(3)21(27)18-11-8-16(22)13-19(18)25-12-4-5-20(25)26/h6-11,13H,4-5,12,14H2,1-3H3.
What are the key properties of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 385.90 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 36670953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).